Vaska's complex

Vaska's complex

Names
IUPAC name (SP-4-1)-carbonylchloridobis(triphenylphosphane)iridium(I)
Other names Iridium(I)bis(triphenylphosphine) carbonyl chloride Vaska's complex Vaska's compound
Identifiers
CAS Number	14871-41-1 N
3D model (Jmol)	Interactive image
ChemSpider	21106488 Y
ECHA InfoCard	100.035.386
EC Number	238-941-6
InChI InChI=1S/2C18H15P.CO.ClH.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h2*1-15H;;1H;/q;;;;-1/p+1 Y Key: ZOMWXKQUBRXYLE-UHFFFAOYSA-O Y InChI=1/2C18H15P.CO.ClH.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h2*1-15H;;1H;/q;;;;-1/p+1/rC37H32ClIrOP2/c38-39(31-40,41(32-19-7-1-8-20-32,33-21-9-2-10-22-33)34-23-11-3-12-24-34)42(35-25-13-4-14-26-35,36-27-15-5-16-28-36)37-29-17-6-18-30-37/h1-30,41-42H Key: ZOMWXKQUBRXYLE-JPKJWYTPAA
SMILES c1ccc(cc1)P(c2ccccc2)(c3ccccc3)[Ir](C#O)(P(c4ccccc4)(c5ccccc5)c6ccccc6)Cl
Properties
Chemical formula	IrCl(CO)[P(C6H5)3]2.
Molar mass	780.25 g/mol
Appearance	yellow crystals
Melting point	215 °C (419 °F; 488 K) (decomposes)
Boiling point	360 °C (680 °F; 633 K)
Solubility in water	insol
Structure
Coordination geometry	sq. planar
Hazards
Main hazards	none
R-phrases	none
S-phrases	22-24/25
Related compounds
Other anions	IrI(CO)[P(C6H5)3]2
Other cations	RhCl(CO)[P(C6H5)3]2
Related compounds	Pd[P(C6H5)3]4
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N  (what is YN ?)
Infobox references

Vaska's complex is the trivial name for the chemical compound trans-carbonylchlorobis(triphenylphosphine)iridium(I), which has the formula IrCl(CO)[P(C₆H₅)₃]₂. This square planar diamagnetic organometallic complex consists of a central iridium atom bound to two mutually trans triphenylphosphine ligands, carbon monoxide, and a chloride ion. The complex was first reported by J. W. DiLuzio and Lauri Vaska in 1961. Vaska's complex can undergo oxidative addition and is notable for its ability to bind to O₂ reversibly. It is a bright yellow crystalline solid.

The synthesis involves heating virtually any iridium chloride salt with triphenylphosphine and a carbon monoxide source. The most popular method uses dimethylformamide (DMF) as a solvent, and sometimes aniline is added to accelerate the reaction. Another popular solvent is 2-methoxyethanol. The reaction is typically conducted under nitrogen. In the synthesis, triphenylphosphine serves as both a ligand and a reductant, and the carbonyl ligand is derived by decomposition of dimethylformamide, probably via a deinsertion of an intermediate Ir-C(O)H species. The following is a possible balanced equation for this complicated reaction.

Typical sources of iridium used in this preparation are IrCl₃·xH₂O and H₂IrCl₆.